4-[(3-methyl-1-benzothiophen-2-yl)-oxidanyl-methyl]-N-pyridin-3-yl-piperidine-1-carboxamide

Systemtic Name: 4-[(3-methyl-1-benzothiophen-2-yl)-oxidanyl-methyl]-N-pyridin-3-yl-piperidine-1-carboxamide Openeye Name: 4-[hydroxy-(3-methylbenzothiophen-2-yl)methyl]-N-(3-pyridyl)piperidine-1-carboxamide CAS Name: 4-[hydroxy-(3-methyl-1-benzothiophen-2-yl)methyl]-N-(3-pyridinyl)-1-piperidinecarboxamide IUPAC Name: 4-[hydroxy-(3-methyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-ylpiperidine-1-carboxamide Traditional Name: 4-[hydroxy-(3-methylbenzothiophen-2-yl)methyl]-N-(3-pyridyl)piperidine-1-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(C3CCN(CC3)C(=O)NC4=CN=CC=C4)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(C3CCN(CC3)C(=O)NC4=CN=CC=C4)O

InChI

InChI=1S/C21H23N3O2S/c1-14-17-6-2-3-7-18(17)27-20(14)19(25)15-8-11-24(12-9-15)21(26)23-16-5-4-10-22-13-16/h2-7,10,13,15,19,25H,8-9,11-12H2,1H3,(H,23,26)